⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28073141 | 0.73 | — | — | |
| SCHEMBL16466661 | 0.73 | HSD17B10 (0.32) | — | |
| SCHEMBL19165992 | 0.73 | MGAM (0.30) | — | |
| SCHEMBL28673627 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL8213378 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL23181448 | 0.69 | TUBB1 (0.35) | — | |
| SCHEMBL14468295 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL5082572 | 0.69 | AKR1B1 (0.38) | — | |
| SCHEMBL21416096 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL12348413 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4158098-A | RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1979-06-12 | — | — | US | claimed |
| US-3931107-A | POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1976-01-06 | — | — | US | claimed |
| US-10246536-B2 | Functionalized highly syndiotactic polystyrene and preparation method thereof | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2019-04-02 | — | — | US | disclosed |
| US-20170335036-A1 | FUNCTIONALIZED HIGHLY SYNDIOTACTIC POLYSTYRENE AND PREPARATION METHOD THEREOF | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2017-11-23 | — | — | US | disclosed |
| US-20170335036-A1 | FUNCTIONALIZED HIGHLY SYNDIOTACTIC POLYSTYRENE AND PREPARATION METHOD THEREOF | CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) | 2017-11-23 | — | — | US | disclosed |
| US-20070270521-A1 | Transition metal compound, polymerization-initiator system comprising the same, and process for producing polymer | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-11-22 | — | — | US | disclosed |
| CN-101024659-A | Transition metal compound, polymerization initiator system including same and polymer production method | SUMITOMO CHEMICAL CO (JP) | 2007-08-29 | — | — | CN | disclosed |
| US-4158098-A | RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1979-06-12 | — | — | US | disclosed |
| US-3931107-A | POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND | PHILLIPS PETROLEUM COMPANY (US) | 1976-01-06 | — | — | US | disclosed |